N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide

C15H23NO4 — CID 103772268

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCO)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-15(2,7-8-17)10-16-14(18)12-6-5-11(19-3)9-13(12)20-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyYCECFXKVDFAXSJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.84
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide

N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide (PubChem CID 103772268) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
PubChem CID103772268
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCO)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-15(2,7-8-17)10-16-14(18)12-6-5-11(19-3)9-13(12)20-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyYCECFXKVDFAXSJ-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
CID 106145403
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465
4-bromo-N-(2,2-dimethylheptyl)-2-methoxybenzamide
CID 115369323

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide (CID 103772268) is N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(C)(C)CCO)c(OC)c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide?
The InChIKey is YCECFXKVDFAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,7-8-17)10-16-14(18)12-6-5-11(19-3)9-13(12)20-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 103772268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).